3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C28H27F3N4O3 — CID 54844480

IUPAC3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C28H27F3N4O3/c29-28(30,31)21-7-5-9-24(17-21)34-26(37)20-6-4-8-23(16-20)32-18-25(36)33-22-12-10-19(11-13-22)27(38)35-14-2-1-3-15-35/h4-13,16-17,32H,1-3,14-15,18H2,(H,33,36)(H,34,37)
InChIKeySJEPJSBSARJPPD-UHFFFAOYSA-N
MW524.54 g/mol
LogP5.63
Rot. Bonds7

About 3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 54844480) has the molecular formula C28H27F3N4O3 and a molecular weight of 524.54 g/mol. Its IUPAC name is 3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID54844480
Molecular FormulaC28H27F3N4O3
Molecular Weight524.54 g/mol
Exact Mass524.20
IUPAC Name3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C28H27F3N4O3/c29-28(30,31)21-7-5-9-24(17-21)34-26(37)20-6-4-8-23(16-20)32-18-25(36)33-22-12-10-19(11-13-22)27(38)35-14-2-1-3-15-35/h4-13,16-17,32H,1-3,14-15,18H2,(H,33,36)(H,34,37)
InChIKeySJEPJSBSARJPPD-UHFFFAOYSA-N
XLogP5.63
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.54
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844350
3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54835179
2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54834910
3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844558
3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54842854
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54841798
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54830576
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 54844480) is 3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SJEPJSBSARJPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3/c29-28(30,31)21-7-5-9-24(17-21)34-26(37)20-6-4-8-23(16-20)32-18-25(36)33-22-12-10-19(11-13-22)27(38)35-14-2-1-3-15-35/h4-13,16-17,32H,1-3,14-15,18H2,(H,33,36)(H,34,37).
What are the key properties of 3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 524.54 g/mol, XLogP of 5.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 54844480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).